A new measurement of amine steric hindrance – N exposure

Deng, Xuepeng; Han, Yang; Lin, Li-Chiang; Winston Ho, W. S.

doi:10.1016/j.seppur.2022.121601

A new measurement of amine steric hindrance – N exposure

Journal Article · Tue Jun 28 00:00:00 EDT 2022 · Separation and Purification Technology

DOI:https://doi.org/10.1016/j.seppur.2022.121601· OSTI ID:1877555

Deng, Xuepeng ^[1]; Han, Yang ^[2]; Lin, Li-Chiang ^[3]; Winston Ho, W. S. ^[2]

The Ohio State Univ., Columbus, OH (United States); The Ohio State University
The Ohio State Univ., Columbus, OH (United States)
The Ohio State Univ., Columbus, OH (United States); National Taiwan Univ., Taipei (Taiwan)

Here, a new measurement of steric hindrance effect of amines, N exposure, is proposed. N exposure outperforms traditional parameters as it is independent of group-specific parame-ters and accounts for the spatial arrangements of pendant groups. Such a measurement can facilitate the screening of sterically hindered amines for carbon capture with improved CO₂ loading capacities. Along with this study, a script is provided to quantify the N exposure for other amine molecules of interest.

View Accepted Manuscript (DOE)

Research Organization:: The Ohio State Univ., Columbus, OH (United States)

Sponsoring Organization:: USDOE Office of Fossil Energy (FE)

Grant/Contract Number:: FE0031731

OSTI ID:: 1877555

Journal Information:: Separation and Purification Technology, Journal Name: Separation and Purification Technology Vol. 299; ISSN 1383-5866

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

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37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
Amine–CO2 reaction
CO2 capture
Density functional theory
Steric hindrance

A new measurement of amine steric hindrance – N exposure

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